N-(3-methylbutyl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-methylbutyl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-isopentyl-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(3-methylbutyl)-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(3-methylbutyl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-isoamyl-2-[(5-morpholinosulfonyl-2-pyridyl)thio]acetamide Formula: C16H25N3O4S2 MolecularWeight: 387.5174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C16H25N3O4S2/c1-13(2)5-6-17-15(20)12-24-16-4-3-14(11-18-16)25(21,22)19-7-9-23-10-8-19/h3-4,11,13H,5-10,12H2,1-2H3,(H,17,20)